HRID664291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700608

4-Methoxy-3-nitrobenzaldehyde

C8H7NO4

HCID5462224

Magnesium

HCID21772690

4-Bromo-2-ethoxy-1-methoxybenzene

C9H11BrO2

结构：COc1ccc(C(=CC#N)c2ccc(OC)c(OC)c2)cc1N

HCID68940061

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1OC

HCID69203000

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ddd64567ca9d4c308d28dad98eaf3bc6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:24]([CH3:25])[O:26][c:27]1[cH:28][c:29]([Br:35])[cH:30][cH:31][c:32]1[O:33][CH3:34].[CH3:37][O:38][c:39]1[c:40]([N+:47](=[O:48])[O-:49])[cH:41][c:42]([CH:43]=[O:44])[cH:45][cH:46]1.[Mg:36].[NH2:1][c:2]1[cH:3][c:4]([C:5]([c:6]2[cH:7][cH:8][c:9]([O:10][CH3:11])[c:12]([O:13][CH3:14])[cH:15]2)=[CH:16][C:17]#[N:18])[cH:19][cH:20][c:21]1[O:22][CH3:23]>>[CH2:24]([CH3:25])[O:26][c:27]1[cH:28][c:29]([CH:43]([c:42]2[cH:41][c:40]([N+:47](=[O:48])[O-:49])[c:39]([O:38][CH3:37])[cH:46][cH:45]2)[OH:44])[cH:30][cH:31][c:32]1[O:33][CH3:34]